3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole - CAS 1185320-36-8
Catalog: |
BB004138 |
Product Name: |
3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole |
CAS: |
1185320-36-8 |
Synonyms: |
3-bromo-5-(trifluoromethyl)-1H-1,2,4-triazole |
IUPAC Name: | 3-bromo-5-(trifluoromethyl)-1H-1,2,4-triazole |
Description: | 3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole (CAS# 1185320-36-8) is a useful research chemical. |
Molecular Weight: | 215.96 |
Molecular Formula: | C3HBrF3N3 |
Canonical SMILES: | C1(=NC(=NN1)Br)C(F)(F)F |
InChI: | InChI=1S/C3HBrF3N3/c4-2-8-1(9-10-2)3(5,6)7/h(H,8,9,10) |
InChI Key: | ZHLNRDIDHQSRLT-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 1.58600 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020132269-A1 | Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors | 20181220 |
TW-202039501-A | Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors | 20181220 |
US-2021115049-A1 | Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors | 20181220 |
CN-113164485-A | Substituted pyrazolopyrimidines and substituted purines and their use as inhibitors of ubiquitin-specific processing protease 1(USP1) | 20181220 |
EP-3897652-A1 | Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors | 20181220 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.93059 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.93059 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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